chempirical

3,5-Dichlorobenzenesulfonyl chloride

C6H3Cl3O2SCAS 705-21-5245.50 g/mol

Open in Covalent MOL file
ClClSOOCl
Aryl halide

Properties

Molecular formula
C6H3Cl3O2S
Molar mass
245.50 g/mol
Exact mass
243.8919 Da
logP
2.92Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
705-21-5
SMILES
C1=C(C=C(C=C1Cl)Cl)S(=O)(=O)Cl
InChIKey
RJSQINMKOSOUGT-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3,5-Dichlorobenzenesulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chlorobenzenesulfonyl chloride2888-06-465 % similar 4-Chlorobenzenesulfonyl chloride98-60-260 % similar 1,3-Benzenedisulfonyl dichloride585-47-756 % similar 2,4,6-Trichlorobenzenesulfonyl chloride51527-73-256 % similar 4′-Chloro[1,1′-biphenyl]-4-sulfonyl chloride20443-74-754 % similar 6-Chloronaphthalene-2-sulfonyl chloride102153-63-953 % similar 3,5-Dichlorobenzenesulfonamide19797-32-152 % similar 3,5-Difluorobenzenesulfonyl chloride210532-25-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dichlorobenzenesulfonyl chloride16271-33-3 2,5-Dichlorobenzenesulfonyl chloride5402-73-3 2,6-Dichlorobenzenesulfonylchloride6579-54-0 2,3-Dichlorobenzenesulfonyl chloride82417-45-6 3,4-Dichlorobenzenesulfonyl chloride98-31-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook